BDBM50238533 CHEMBL4060917

SMILES: CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1

InChI Key: InChIKey=YZYCFZMIKGBFFD-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50238533   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50238533 (CHEMBL4060917) Show SMILES CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C36H40BrN7O2S/c1-26(28-13-8-5-9-14-28)24-43-33-32(23-38-43)34(40-35(39-33)47-3)44(30-16-10-15-29(37)22-30)36(45)46-31(21-27-11-6-4-7-12-27)25-42-19-17-41(2)18-20-42/h4-16,22-23,26,31H,17-21,24-25H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged ABL (P118 to S535 residues) expressed in Sf9 cells using abltide as substrate af...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50238533 (CHEMBL4060917) Show SMILES CSc1nc(N(C(=O)OC(CN2CCN(C)CC2)Cc2ccccc2)c2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1 Show InChI InChI=1S/C36H40BrN7O2S/c1-26(28-13-8-5-9-14-28)24-43-33-32(23-38-43)34(40-35(39-33)47-3)44(30-16-10-15-29(37)22-30)36(45)46-31(21-27-11-6-4-7-12-27)25-42-19-17-41(2)18-20-42/h4-16,22-23,26,31H,17-21,24-25H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human wild type full length N-terminal GST/6His-tagged SRC (M1 to L536 residues) expressed in baculovirus infected Sf9 cells using src ...				J Med Chem 60: 6305-6320 (2017) Article DOI: 10.1021/acs.jmedchem.7b00637 BindingDB Entry DOI: 10.7270/Q2HT2RMG
					More data for this Ligand-Target Pair